1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-(dipentylamino)propan-2-yl]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-(dipentylamino)propan-2-yl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1S)-2-(dipentylamino)-1-methyl-ethyl]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-(dipentylamino)propan-2-yl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-(dipentylamino)propan-2-yl]thiourea Traditional Name: 1-[(1S)-2-(diamylamino)-1-methyl-ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C22H37N3O2S MolecularWeight: 407.61308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CC(C)NC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCCN(CCCCC)C[C@H](C)NC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C22H37N3O2S/c1-4-6-8-12-25(13-9-7-5-2)17-18(3)23-22(28)24-19-10-11-20-21(16-19)27-15-14-26-20/h10-11,16,18H,4-9,12-15,17H2,1-3H3,(H2,23,24,28)/t18-/m0/s1